![ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydro-3-pyridinecarboxylate](/api/spectrum/5G2wRhuFVrg/structure.png?h=300&w=458 "ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydro-3-pyridinecarboxylate")
| SpectraBase Compound ID | FxQ0b5IBXll |
|---|---|
| InChI | InChI=1S/C29H30ClN3O3S/c1-2-36-29(35)26-25(21-15-9-10-16-23(21)30)22(17-31)28(33-27(26)19-11-5-3-6-12-19)37-18-24(34)32-20-13-7-4-8-14-20/h3,5-6,9-12,15-16,20,25,33H,2,4,7-8,13-14,18H2,1H3,(H,32,34) |
| InChIKey | PPBZNMCZHGKRMT-UHFFFAOYSA-N |
| Mol Weight | 536.09 g/mol |
| Molecular Formula | C29H30ClN3O3S |
| Exact Mass | 535.169641 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5G2wRhuFVrg |
|---|---|
| Name | ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydro-3-pyridinecarboxylate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 535.169640709 u |
| Formula | C29H30ClN3O3S |
| InChI | InChI=1S/C29H30ClN3O3S/c1-2-36-29(35)26-25(21-15-9-10-16-23(21)30)22(17-31)28(33-27(26)19-11-5-3-6-12-19)37-18-24(34)32-20-13-7-4-8-14-20/h3,5-6,9-12,15-16,20,25,33H,2,4,7-8,13-14,18H2,1H3,(H,32,34) |
| InChIKey | PPBZNMCZHGKRMT-UHFFFAOYSA-N |
| Molecular Weight | 536.090 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_1653 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12278224 |